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Direct and inverse spectral problems were solved. A three-ligand model was used to assign the bands in an IR spectrum of a molecular chromium complex with tris(malonodialdehyde), Cr(Mal)3. In CCl4solution, the α- and β-hydrogen atoms of the ligands in this complex were shown to be involved in intermolecular interactions with solvent molecules. The symmetry of the coordination entity of the complex in the solid state was found to be below D3.